Cas no 236736-21-3 (4,5-Difluoro-1H-benzodimidazole)

4,5-Difluoro-1H-benzimidazole is a fluorinated heterocyclic compound featuring a benzimidazole core with fluorine substitutions at the 4 and 5 positions. This structural modification enhances its electronic properties, making it valuable in pharmaceutical and agrochemical research as a versatile intermediate. The fluorine atoms contribute to increased metabolic stability and improved binding affinity in bioactive molecules. Its rigid aromatic framework and electron-withdrawing characteristics also make it useful in materials science, particularly in the design of organic semiconductors and ligands for catalytic systems. The compound’s high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
4,5-Difluoro-1H-benzodimidazole structure
236736-21-3 structure
Product Name:4,5-Difluoro-1H-benzodimidazole
CAS No:236736-21-3
MF:C7H4F2N2
MW:154.116868019104
MDL:MFCD00153122
CID:245466
PubChem ID:2736916
Update Time:2025-11-02

4,5-Difluoro-1H-benzodimidazole Chemical and Physical Properties

Names and Identifiers

    • 4,5-Difluoro-1H-benzo[d]imidazole
    • 1H-Benzimidazole,6,7-difluoro-
    • 4,5-DIFLUOROBENZIMIDAZOLE
    • 6,7-Difluorobenzimidazole
    • 4,5-difluoro-1H-1,3-benzodiazole
    • AC1MC6I7
    • ACMC-209g4r
    • PubChem6521
    • SureCN1193116
    • SureCN1193118
    • EN300-801926
    • 1H-Benzimidazole,4,5-difluoro-(9ci)
    • 4, 5-difluoro-1H-benzimidazole
    • JNEWVMQNHBQHHL-UHFFFAOYSA-N
    • 4,5-difluoro-1H-benzimidazole
    • MFCD00153122
    • AKOS006228081
    • SCHEMBL1193118
    • 6,7-difluoro-1H-1,3-benzodiazole
    • F82809
    • PS-6459
    • CS-0146716
    • SCHEMBL1193116
    • 1H-Benzimidazole, 6,7-difluoro-
    • AKOS015999422
    • 6,7-Difluoro-1H-benzo[d]imidazole
    • FT-0676371
    • DTXSID40371701
    • 236736-21-3
    • DB-058040
    • XH0012
    • 4,5-Difluoro-1H-benzodimidazole
    • MDL: MFCD00153122
    • Inchi: 1S/C7H4F2N2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11)
    • InChI Key: JNEWVMQNHBQHHL-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC2=C1N=CN2)F

Computed Properties

  • Exact Mass: 154.034
  • Monoisotopic Mass: 154.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 28.7A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 369.5±22.0 °C at 760 mmHg
  • Flash Point: 177.3±22.3 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4,5-Difluoro-1H-benzodimidazole Security Information

4,5-Difluoro-1H-benzodimidazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D445918-10mg
4,5-Difluoro-1H-benzo[d]imidazole
236736-21-3
10mg
$ 50.00 2022-06-02
TRC
D445918-50mg
4,5-Difluoro-1H-benzo[d]imidazole
236736-21-3
50mg
$ 65.00 2022-06-02
TRC
D445918-100mg
4,5-Difluoro-1H-benzo[d]imidazole
236736-21-3
100mg
$ 80.00 2022-06-02
Fluorochem
008180-1g
4,5-Difluorobenzimidazole
236736-21-3 95%
1g
£100.00 2022-03-01
Fluorochem
008180-5g
4,5-Difluorobenzimidazole
236736-21-3 95%
5g
£300.00 2022-03-01
Fluorochem
008180-25g
4,5-Difluorobenzimidazole
236736-21-3 95%
25g
£850.00 2022-03-01
Chemenu
CM152942-5g
4,5-Difluorobenzimidazole
236736-21-3 95%
5g
$213 2021-06-09
Chemenu
CM152942-10g
4,5-Difluorobenzimidazole
236736-21-3 95%
10g
$363 2021-06-09
Chemenu
CM152942-25g
4,5-Difluorobenzimidazole
236736-21-3 95%
25g
$604 2021-06-09
SHANG HAI XIAN DING Biotechnology Co., Ltd.
005191-500mg
4,5-Difluorobenzimidazole
236736-21-3
500mg
1136CNY 2021-05-07

Additional information on 4,5-Difluoro-1H-benzodimidazole

4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3): A Versatile Building Block in Modern Chemistry

4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3) is a fluorinated heterocyclic compound that has gained significant attention in pharmaceutical and materials science research. This benzodimidazole derivative serves as a crucial building block for the synthesis of various biologically active molecules and functional materials. The presence of two fluorine atoms at the 4 and 5 positions of the benzodimidazole core imparts unique electronic properties that make this compound particularly valuable in drug discovery and material design.

The growing interest in fluorinated organic compounds like 4,5-Difluoro-1H-benzodimidazole stems from their ability to modulate biological activity and improve pharmacokinetic properties. Researchers are increasingly focusing on this compound due to its potential applications in developing small molecule therapeutics, particularly in areas such as oncology and infectious diseases. The difluorobenzodimidazole scaffold offers excellent opportunities for structure-activity relationship (SAR) studies, allowing medicinal chemists to fine-tune molecular properties for optimal biological effects.

In the field of organic electronics, 4,5-Difluoro-1H-benzodimidazole has shown promise as a precursor for constructing electron-deficient π-conjugated systems. These systems are essential components in organic light-emitting diodes (OLEDs), organic photovoltaics, and other advanced materials. The fluorine substituents enhance the electron-accepting character of the benzodimidazole moiety, making it particularly useful for designing novel n-type organic semiconductors with improved performance characteristics.

The synthesis of 4,5-Difluoro-1H-benzodimidazole typically involves multi-step procedures starting from appropriately substituted benzene derivatives. Recent advances in green chemistry approaches have focused on developing more sustainable routes to this valuable intermediate. Researchers are particularly interested in minimizing the use of hazardous reagents and optimizing reaction conditions to improve yields while reducing environmental impact. These developments align with the current industry trend toward more sustainable chemical manufacturing processes.

Analytical characterization of 4,5-Difluoro-1H-benzodimidazole typically involves a combination of techniques including nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and X-ray crystallography. The compound's purity and structural integrity are critical factors that determine its suitability for various applications. Advanced analytical methods have enabled researchers to better understand the compound's molecular properties and interactions, facilitating its rational use in different contexts.

From a commercial perspective, the demand for 4,5-Difluoro-1H-benzodimidazole has been steadily increasing due to its expanding applications. The compound is available from several specialty chemical suppliers, typically in research quantities. Current market trends indicate growing interest from both academic institutions and pharmaceutical companies, particularly those engaged in drug discovery programs targeting protein kinases and other important biological targets where the benzodimidazole scaffold shows particular promise.

Recent patent literature reveals numerous applications of 4,5-Difluoro-1H-benzodimidazole derivatives in various therapeutic areas. The compound's versatility as a synthetic intermediate has made it valuable for creating libraries of compounds for high-throughput screening. Its ability to participate in diverse chemical transformations while maintaining the integrity of its core structure makes it particularly attractive for combinatorial chemistry approaches that are central to modern drug discovery efforts.

Safety considerations for handling 4,5-Difluoro-1H-benzodimidazole follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, proper personal protective equipment should be used when working with this material. Storage recommendations typically suggest keeping the compound in a cool, dry place away from strong oxidizing agents. These handling precautions are consistent with good laboratory practices for similar heterocyclic compounds.

The future outlook for 4,5-Difluoro-1H-benzodimidazole appears promising, with potential applications emerging in areas such as metal-organic frameworks (MOFs) and supramolecular chemistry. Researchers are exploring its use as a ligand for transition metal complexes and as a building block for functional materials with tailored properties. As synthetic methodologies continue to advance and new applications are discovered, this compound is likely to maintain its importance in chemical research and development.

In conclusion, 4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3) represents a valuable tool for chemists working across multiple disciplines. Its unique combination of structural features and functional group compatibility makes it particularly useful for creating novel molecules with desired properties. As research continues to uncover new applications for this versatile building block, its role in advancing both pharmaceutical science and materials chemistry is expected to grow significantly in the coming years.

Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.